SCHEMBL3376826

SCHEMBL3376826

Clc1cc(OC2CC(CN3CCOCC3)C2)ccc1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 3/20 0.51
HRH3 Q9Y5N1 7/20 0.50
HRH1 P35367 6/20 0.43
CCR3 P51677 6/20 0.43
KCNH2 Q12809 6/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3377506 0.87 HRH3 (0.47) CYP2A13HRH3KCNH2HTR1ADRD2
Hydrochloric Acid SCHEMBL3374796 0.86 HRH3 (0.46) CYP2A13HRH3KCNH2HTR1ADRD2
Hydrochloric Acid SCHEMBL3374789 0.86 HRH3 (0.46) CYP2A13HRH3KCNH2HTR1ADRD2
SCHEMBL3377487 0.85 MCHR1 (0.51) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3377493 0.85 MCHR1 (0.51) HRH3KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3378449 0.85 HRH3 (0.41) CYP2A13HRH3HRH1CCR3KCNH2
SCHEMBL3378459 0.85 HRH3 (0.41) CYP2A13HRH3HRH1CCR3KCNH2
SCHEMBL3377113 0.83 HRH3 (0.67) HRH3KCNH2KDM4ESMN1; SMN2
SCHEMBL3379722 0.83 HRH3 (0.67) HRH3KCNH2KDM4ESMN1; SMN2
SCHEMBL3378839 0.83 KDM4E (0.48) HRH3KCNH2KDM4EALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 CYP2A13 817/4885HRH3 1/4885HRH1 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.